N-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

C57H61N3 — CID 163426970

IUPACN-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
SMILESCCc1ccc2cc(-c3cc(C)cc(N(c4cccc(N5c6ccccc6C6(C)CCCCC56C)c4)c4ccc5c(c4)C(C)(C)CCC5(C)C)c3)n(-c3ccccc3)c2c1
InChIInChI=1S/C57H61N3/c1-9-40-24-25-41-36-53(59(52(41)34-40)43-18-11-10-12-19-43)42-32-39(2)33-47(35-42)58(45-26-27-48-50(38-45)55(5,6)31-30-54(48,3)4)44-20-17-21-46(37-44)60-51-23-14-13-22-49(51)56(7)28-15-16-29-57(56,60)8/h10-14,17-27,32-38H,9,15-16,28-31H2,1-8H3
InChIKeyANJFPPNRHLHQPZ-UHFFFAOYSA-N
MW788.14 g/mol
LogP15.73
Rot. Bonds7

About N-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

N-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine (PubChem CID 163426970) has the molecular formula C57H61N3 and a molecular weight of 788.14 g/mol. Its IUPAC name is N-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
PubChem CID163426970
Molecular FormulaC57H61N3
Molecular Weight788.14 g/mol
Exact Mass787.49
IUPAC NameN-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
SMILESCCc1ccc2cc(-c3cc(C)cc(N(c4cccc(N5c6ccccc6C6(C)CCCCC56C)c4)c4ccc5c(c4)C(C)(C)CCC5(C)C)c3)n(-c3ccccc3)c2c1
InChIInChI=1S/C57H61N3/c1-9-40-24-25-41-36-53(59(52(41)34-40)43-18-11-10-12-19-43)42-32-39(2)33-47(35-42)58(45-26-27-48-50(38-45)55(5,6)31-30-54(48,3)4)44-20-17-21-46(37-44)60-51-23-14-13-22-49(51)56(7)28-15-16-29-57(56,60)8/h10-14,17-27,32-38H,9,15-16,28-31H2,1-8H3
InChIKeyANJFPPNRHLHQPZ-UHFFFAOYSA-N
XLogP15.73
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.14
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine with MolForge

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Related Compounds

3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-5-methyl-N,N-bis(3-methylphenyl)aniline
CID 166014454
3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-5-methyl-N,N-bis(4-methylphenyl)aniline
CID 166015123
3-N-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-2-chloro-1-N,1-N,3-N,5-tetraphenylbenzene-1,3-diamine
CID 166583638
5,5,8,8-tetramethyl-N-(3-methylphenyl)-N-phenyl-6,7-dihydronaphthalen-2-amine
CID 142500873
3-(4a,9a-dimethyl-6-phenyl-1,2,3,4-tetrahydrocarbazol-9-yl)-N,N-bis(4-tert-butylphenyl)-5-methylaniline
CID 166015021
3-N-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-chloro-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 166583636
5a,10a-dimethyl-5-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole
CID 142355577
5,5,8,8-tetramethyl-N-phenyl-N-[4-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735963
N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735973
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
N,N-bis(4-tert-butylphenyl)-3,8-dimethyl-21-phenyl-2,22-diaza-14-boraoctacyclo[12.12.1.12,9.115,19.03,8.023,27.013,29.022,28]nonacosa-1(26),9,11,13(29),15(28),16,18,20,23(27),24-decaen-25-amine;3,8-dimethyl-21-phenyl-2,22-diaza-14-boraoctacyclo[12.12.1.12,9.115,19.03,8.023,27.013,29.022,28]nonacosa-1(26),9,11,13(29),15(28),16,18,20,23(27),24-decaene;3,8-dimethyl-N,N,21-triphenyl-2,22-diaza-14-boraoctacyclo[12.12.1.12,9.115,19.03,8.023,27.013,29.022,28]nonacosa-1(26),9,11,13(29),15(28),16,18,20,23(27),24-decaen-25-amine;3,8,25-trimethyl-21-phenyl-2,22-diaza-14-boraoctacyclo[12.12.1.12,9.115,19.03,8.023,27.013,29.022,28]nonacosa-1(26),9,11,13(29),15(28),16,18,20,23(27),24-decaene
CID 164956171
9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-3,6-ditert-butylcarbazole
CID 166014727

Frequently Asked Questions

What is the IUPAC name of N-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The IUPAC name of N-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine (CID 163426970) is N-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine.
What is the SMILES notation for N-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The canonical SMILES for N-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine is CCc1ccc2cc(-c3cc(C)cc(N(c4cccc(N5c6ccccc6C6(C)CCCCC56C)c4)c4ccc5c(c4)C(C)(C)CCC5(C)C)c3)n(-c3ccccc3)c2c1.
What is the InChIKey of N-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The InChIKey is ANJFPPNRHLHQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H61N3/c1-9-40-24-25-41-36-53(59(52(41)34-40)43-18-11-10-12-19-43)42-32-39(2)33-47(35-42)58(45-26-27-48-50(38-45)55(5,6)31-30-54(48,3)4)44-20-17-21-46(37-44)60-51-23-14-13-22-49(51)56(7)28-15-16-29-57(56,60)8/h10-14,17-27,32-38H,9,15-16,28-31H2,1-8H3.
What are the key properties of N-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
N-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine has a molecular weight of 788.14 g/mol, XLogP of 15.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-N-[3-(6-ethyl-1-phenylindol-2-yl)-5-methylphenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 163426970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).